Ipratropium Bromide Monohydrate

Analyte Name

Ipratropium Bromide Monohydrate

CAS Number

66985-17-9

Molecular Formula

C20H32BrNO4

Molecular Weight

430.38

Accurate Mass

429.15

SMILES

OCC(C1=CC=CC=C1)C(O[C@H]2C[C@H]3CC[C@@H](C2)[N@@+]3(C)C(C)C)=O.[Br-].O

InChI

InChI=1S/C20H30NO3.BrH.H2O/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H;1H2/q+1;;/p-1/t16-,17+,18+,19?,21+;;

IUPAC

(1R,3r,5S,8r)-3-((3-hydroxy-2-phenylpropanoyl)oxy)-8-isopropyl-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide hydrate

Alternate CAS Number

Anhydrous: 60205-81-4

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

API

Product Format

Neat

API Family

Ipratropium Bromide

Purity

>95% (HPLC)